Property:Molfile
From ChemWiki
1
-INDIGO-12302416232D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 9 9 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.78485 -5.35007 0.0 0
M V30 2 C 7.51515 -5.34959 0.0 0
M V30 3 C 6.65164 -4.84997 0.0 0
M V30 4 C 7.51515 -6.35053 0.0 0
M V30 5 C 5.78485 -6.35502 0.0 0
M V30 6 C 6.65382 -6.85003 0.0 0
M V30 7 N 6.65768 -7.85003 0.0 0
M V30 8 C 5.79359 -8.35336 0.0 0
M V30 9 C 7.52563 -8.34668 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 6 7
M V30 8 1 7 8
M V30 9 1 7 9
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-12302416242D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 10 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.78485 -5.35007 0.0 0
M V30 2 C 7.51515 -5.34959 0.0 0
M V30 3 C 6.65164 -4.84997 0.0 0
M V30 4 C 7.51515 -6.35053 0.0 0
M V30 5 C 5.78485 -6.35502 0.0 0
M V30 6 C 6.65382 -6.85003 0.0 0
M V30 7 N 6.65768 -7.85003 0.0 0
M V30 8 C 5.79359 -8.35336 0.0 0
M V30 9 C 7.52563 -8.34668 0.0 0
M V30 10 C 6.65225 -3.84997 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 6 7
M V30 8 1 7 8
M V30 9 1 7 9
M V30 10 1 3 10
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01092515082D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 13 13 0 0 0
M V30 BEGIN ATOM
M V30 1 C -4.8 0.0 0.0 0
M V30 2 C -4.0 1.38564 0.0 0
M V30 3 O -4.8 2.77128 0.0 0
M V30 4 O -2.4 1.38564 0.0 0
M V30 5 C -1.6 0.0 0.0 0
M V30 6 C -2.4 -1.38564 0.0 0
M V30 7 C -1.6 -2.77128 0.0 0
M V30 8 C 0.0 -2.77128 0.0 0
M V30 9 C 0.8 -1.38564 0.0 0
M V30 10 C 0.0 0.0 0.0 0
M V30 11 C 0.799999 1.38564 0.0 0
M V30 12 O 0.0 2.77128 0.0 0
M V30 13 O 2.4 1.38564 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 2 2 3
M V30 3 1 2 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 6 7
M V30 7 2 7 8
M V30 8 1 8 9
M V30 9 2 9 10
M V30 10 1 10 5
M V30 11 1 10 11
M V30 12 2 11 12
M V30 13 1 11 13
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-02102515322D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 52 0 0 0
M V30 BEGIN ATOM
M V30 1 C -5.03894 -1.34201 0.0 0
M V30 2 C -5.03894 -2.166 0.0 0
M V30 3 C -4.32447 -2.57901 0.0 0
M V30 4 C -3.61001 -2.166 0.0 0
M V30 5 N -3.61001 -1.34201 0.0 0
M V30 6 C -4.32447 -0.929005 0.0 0
M V30 7 C -4.57368 1.89871 0.0 0
M V30 8 C -4.57368 1.07471 0.0 0
M V30 9 C -3.86022 0.66171 0.0 0
M V30 10 N -3.14576 1.07471 0.0 0
M V30 11 C -3.14576 1.89871 0.0 0
M V30 12 C -3.86022 2.31171 0.0 0
M V30 13 Fe -1.69974 -0.208511 0.0 0
M V30 14 N -2.03838 -2.33181 0.0 0
M V30 15 N -1.48571 1.86354 0.0 0
M V30 16 Cl -0.483846 -1.4445 0.0 0
M V30 17 C -2.89655 -2.57901 0.0 0
M V30 18 C -3.48239 -0.673768 0.0 0
M V30 19 C -2.43129 2.31171 0.0 0
M V30 20 C -3.94764 1.46159 0.0 0
M V30 21 C 4.60182 1.61634 0.0 0
M V30 22 C 4.37673 2.40818 0.0 0
M V30 23 C 3.57584 2.61116 0.0 0
M V30 24 C 3.00206 2.01829 0.0 0
M V30 25 N 3.22715 1.22544 0.0 0
M V30 26 C 4.02703 1.02346 0.0 0
M V30 27 C 5.03894 -1.6284 0.0 0
M V30 28 C 4.81385 -0.835552 0.0 0
M V30 29 C 4.01497 -0.633572 0.0 0
M V30 30 N 3.44018 -1.22544 0.0 0
M V30 31 C 3.66528 -2.01829 0.0 0
M V30 32 C 4.46515 -2.22027 0.0 0
M V30 33 Fe 1.69874 -0.386374 0.0 0
M V30 34 N 1.44451 1.74898 0.0 0
M V30 35 N 2.05848 -2.43832 0.0 0
M V30 36 Cl 0.475808 -1.31588 0.0 0
M V30 37 C 2.20218 2.22127 0.0 0
M V30 38 C 3.28644 0.548158 0.0 0
M V30 39 C 3.09049 -2.61116 0.0 0
M V30 40 C 4.31744 -1.37919 0.0 0
M V30 41 O 0.068834 0.274833 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 2 3 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 6 1
M V30 7 2 7 8
M V30 8 1 8 9
M V30 9 2 9 10
M V30 10 1 10 11
M V30 11 2 11 12
M V30 12 1 12 7
M V30 13 1 13 16 CFG=1
M V30 14 1 13 5 CFG=1
M V30 15 1 13 10 CFG=3
M V30 16 1 4 17
M V30 17 1 17 14
M V30 18 1 9 18
M V30 19 1 18 14
M V30 20 10 14 13
M V30 21 10 15 13
M V30 22 1 11 19
M V30 23 1 19 15
M V30 24 1 6 20
M V30 25 1 20 15
M V30 26 2 21 22
M V30 27 1 22 23
M V30 28 2 23 24
M V30 29 1 24 25
M V30 30 2 25 26
M V30 31 1 26 21
M V30 32 2 27 28
M V30 33 1 28 29
M V30 34 2 29 30
M V30 35 1 30 31
M V30 36 2 31 32
M V30 37 1 32 27
M V30 38 1 33 36 CFG=3
M V30 39 1 33 25 CFG=1
M V30 40 1 33 30 CFG=3
M V30 41 1 24 37
M V30 42 1 37 34
M V30 43 1 29 38
M V30 44 1 38 34
M V30 45 10 34 33
M V30 46 10 35 33
M V30 47 1 31 39
M V30 48 1 39 35
M V30 49 1 26 40
M V30 50 1 40 35
M V30 51 1 13 41
M V30 52 1 41 33
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-02102515352D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 21 26 0 0 0
M V30 BEGIN ATOM
M V30 1 C -2.50163 -1.20836 0.0 0
M V30 2 C -2.50163 -2.03236 0.0 0
M V30 3 C -1.78717 -2.44536 0.0 0
M V30 4 C -1.0727 -2.03236 0.0 0
M V30 5 N -1.0727 -1.20836 0.0 0
M V30 6 C -1.78717 -0.795357 0.0 0
M V30 7 C -2.03638 2.03236 0.0 0
M V30 8 C -2.03638 1.20836 0.0 0
M V30 9 C -1.32292 0.795357 0.0 0
M V30 10 N -0.608451 1.20836 0.0 0
M V30 11 C -0.608451 2.03236 0.0 0
M V30 12 C -1.32292 2.44536 0.0 0
M V30 13 Co 0.837562 -0.074863 0.0 0
M V30 14 N 0.49892 -2.19816 0.0 0
M V30 15 N 1.0516 1.99718 0.0 0
M V30 16 Cl 2.39612 -0.81646 0.0 0
M V30 17 Cl 2.50163 0.57529 0.0 0
M V30 18 C -0.359243 -2.44536 0.0 0
M V30 19 C -0.945084 -0.54012 0.0 0
M V30 20 C 0.106014 2.44536 0.0 0
M V30 21 C -1.41034 1.59523 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 2 3 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 6 1
M V30 7 2 7 8
M V30 8 1 8 9
M V30 9 2 9 10
M V30 10 1 10 11
M V30 11 2 11 12
M V30 12 1 12 7
M V30 13 1 13 16 CFG=1
M V30 14 1 13 17 CFG=3
M V30 15 1 13 5 CFG=1
M V30 16 1 13 10 CFG=3
M V30 17 1 4 18
M V30 18 1 18 14
M V30 19 1 9 19
M V30 20 1 19 14
M V30 21 10 14 13
M V30 22 10 15 13
M V30 23 1 11 20
M V30 24 1 20 15
M V30 25 1 6 21
M V30 26 1 21 15
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-02102515352D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 21 26 0 0 0
M V30 BEGIN ATOM
M V30 1 C -2.50163 -1.20836 0.0 0
M V30 2 C -2.50163 -2.03236 0.0 0
M V30 3 C -1.78717 -2.44536 0.0 0
M V30 4 C -1.0727 -2.03236 0.0 0
M V30 5 N -1.0727 -1.20836 0.0 0
M V30 6 C -1.78717 -0.795357 0.0 0
M V30 7 C -2.03638 2.03236 0.0 0
M V30 8 C -2.03638 1.20836 0.0 0
M V30 9 C -1.32292 0.795357 0.0 0
M V30 10 N -0.608451 1.20836 0.0 0
M V30 11 C -0.608451 2.03236 0.0 0
M V30 12 C -1.32292 2.44536 0.0 0
M V30 13 Ni 0.837562 -0.074863 0.0 0
M V30 14 N 0.49892 -2.19816 0.0 0
M V30 15 N 1.0516 1.99718 0.0 0
M V30 16 Cl 2.39612 -0.81646 0.0 0
M V30 17 Cl 2.50163 0.57529 0.0 0
M V30 18 C -0.359243 -2.44536 0.0 0
M V30 19 C -0.945084 -0.54012 0.0 0
M V30 20 C 0.106014 2.44536 0.0 0
M V30 21 C -1.41034 1.59523 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 2 3 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 6 1
M V30 7 2 7 8
M V30 8 1 8 9
M V30 9 2 9 10
M V30 10 1 10 11
M V30 11 2 11 12
M V30 12 1 12 7
M V30 13 1 13 16 CFG=1
M V30 14 1 13 17 CFG=3
M V30 15 1 13 5 CFG=1
M V30 16 1 13 10 CFG=3
M V30 17 1 4 18
M V30 18 1 18 14
M V30 19 1 9 19
M V30 20 1 19 14
M V30 21 10 14 13
M V30 22 10 15 13
M V30 23 1 11 20
M V30 24 1 20 15
M V30 25 1 6 21
M V30 26 1 21 15
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-02102515362D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 21 26 0 0 0
M V30 BEGIN ATOM
M V30 1 C -2.50163 -1.20836 0.0 0
M V30 2 C -2.50163 -2.03236 0.0 0
M V30 3 C -1.78717 -2.44536 0.0 0
M V30 4 C -1.0727 -2.03236 0.0 0
M V30 5 N -1.0727 -1.20836 0.0 0
M V30 6 C -1.78717 -0.795357 0.0 0
M V30 7 C -2.03638 2.03236 0.0 0
M V30 8 C -2.03638 1.20836 0.0 0
M V30 9 C -1.32292 0.795357 0.0 0
M V30 10 N -0.608451 1.20836 0.0 0
M V30 11 C -0.608451 2.03236 0.0 0
M V30 12 C -1.32292 2.44536 0.0 0
M V30 13 Zn 0.837562 -0.074863 0.0 0
M V30 14 N 0.49892 -2.19816 0.0 0
M V30 15 N 1.0516 1.99718 0.0 0
M V30 16 Cl 2.39612 -0.81646 0.0 0
M V30 17 Cl 2.50163 0.57529 0.0 0
M V30 18 C -0.359243 -2.44536 0.0 0
M V30 19 C -0.945084 -0.54012 0.0 0
M V30 20 C 0.106014 2.44536 0.0 0
M V30 21 C -1.41034 1.59523 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 2 3 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 6 1
M V30 7 2 7 8
M V30 8 1 8 9
M V30 9 2 9 10
M V30 10 1 10 11
M V30 11 2 11 12
M V30 12 1 12 7
M V30 13 1 13 16 CFG=1
M V30 14 1 13 17 CFG=3
M V30 15 1 13 5 CFG=1
M V30 16 1 13 10 CFG=3
M V30 17 1 4 18
M V30 18 1 18 14
M V30 19 1 9 19
M V30 20 1 19 14
M V30 21 10 14 13
M V30 22 10 15 13
M V30 23 1 11 20
M V30 24 1 20 15
M V30 25 1 6 21
M V30 26 1 21 15
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-02102515582D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 42 48 0 0 0
M V30 BEGIN ATOM
M V30 1 C -2.14341 -0.411496 0.0 0
M V30 2 C -2.14341 -1.2365 0.0 0
M V30 3 C -1.42894 -1.649 0.0 0
M V30 4 C -0.714471 -1.2365 0.0 0
M V30 5 C -0.714471 -0.411496 0.0 0
M V30 6 C -1.42894 0.001004 0.0 0
M V30 7 C 0.0 -1.649 0.0 0
M V30 8 C 0.714471 -1.2365 0.0 0
M V30 9 C 0.714471 -0.411496 0.0 0
M V30 10 O 0.0 0.001004 0.0 0
M V30 11 C 1.42894 -1.649 0.0 0
M V30 12 C 2.14341 -1.2365 0.0 0
M V30 13 C 2.14341 -0.411496 0.0 0
M V30 14 C 1.42894 0.001004 0.0 0
M V30 15 C -0.510529 -2.2865 0.0 0
M V30 16 P 3.95394 0.926004 0.0 0
M V30 17 C 4.66754 1.338 0.0 0
M V30 18 C 5.38114 0.926004 0.0 0
M V30 19 C 6.09475 1.338 0.0 0
M V30 20 C 6.09475 2.162 0.0 0
M V30 21 C 5.38114 2.574 0.0 0
M V30 22 C 4.66754 2.162 0.0 0
M V30 23 C 3.24034 1.338 0.0 0
M V30 24 C 3.24034 2.162 0.0 0
M V30 25 C 2.52674 2.574 0.0 0
M V30 26 C 1.81314 2.162 0.0 0
M V30 27 C 1.81314 1.338 0.0 0
M V30 28 C 2.52674 0.926004 0.0 0
M V30 29 P -1.42894 0.826004 0.0 0
M V30 30 C -0.71534 1.238 0.0 0
M V30 31 C -0.001739 0.826004 0.0 0
M V30 32 C 0.711863 1.238 0.0 0
M V30 33 C 0.711863 2.062 0.0 0
M V30 34 C -0.001739 2.474 0.0 0
M V30 35 C -0.71534 2.062 0.0 0
M V30 36 C -2.14254 1.238 0.0 0
M V30 37 C -2.14254 2.062 0.0 0
M V30 38 C -2.85614 2.474 0.0 0
M V30 39 C -3.56975 2.062 0.0 0
M V30 40 C -3.56975 1.238 0.0 0
M V30 41 C -2.85614 0.826004 0.0 0
M V30 42 C 0.375 -2.274 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 27 28
M V30 2 1 26 27
M V30 3 2 25 26
M V30 4 1 24 25
M V30 5 2 23 24
M V30 6 1 23 28
M V30 7 2 21 22
M V30 8 1 20 21
M V30 9 2 19 20
M V30 10 1 18 19
M V30 11 2 17 18
M V30 12 1 17 22
M V30 13 1 16 17
M V30 14 1 16 23
M V30 15 1 14 16
M V30 16 2 40 41
M V30 17 1 39 40
M V30 18 2 38 39
M V30 19 1 37 38
M V30 20 2 36 37
M V30 21 1 36 41
M V30 22 2 34 35
M V30 23 1 33 34
M V30 24 2 32 33
M V30 25 1 31 32
M V30 26 2 30 31
M V30 27 1 30 35
M V30 28 1 29 30
M V30 29 1 29 36
M V30 30 1 6 29
M V30 31 2 1 2
M V30 32 1 2 3
M V30 33 2 3 4
M V30 34 1 4 5
M V30 35 2 5 6
M V30 36 1 6 1
M V30 37 1 4 7
M V30 38 1 7 8
M V30 39 2 8 9
M V30 40 1 9 10
M V30 41 1 10 5
M V30 42 1 8 11
M V30 43 2 11 12
M V30 44 1 12 13
M V30 45 2 13 14
M V30 46 1 14 9
M V30 47 1 7 15
M V30 48 1 7 42
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-02112509502D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 50 58 1 0 0
M V30 BEGIN ATOM
M V30 1 C -3.06737 -1.48018 0.0 0
M V30 2 C -3.06737 -2.30518 0.0 0
M V30 3 C -2.35291 -2.71718 0.0 0
M V30 4 C -1.63845 -2.30518 0.0 0
M V30 5 C -1.63845 -1.48018 0.0 0
M V30 6 C -2.35291 -1.06818 0.0 0
M V30 7 C -0.924986 -2.71718 0.0 0
M V30 8 C -0.210521 -2.30518 0.0 0
M V30 9 C -0.210521 -1.48018 0.0 0
M V30 10 N -0.924986 -1.06818 0.0 0
M V30 11 C 0.211525 -1.51836 0.0 0
M V30 12 C 0.211525 -2.34236 0.0 0
M V30 13 C 0.924986 -2.75536 0.0 0
M V30 14 C 1.63945 -2.34236 0.0 0
M V30 15 C 1.63945 -1.51836 0.0 0
M V30 16 N 0.924986 -1.10536 0.0 0
M V30 17 C 2.35392 -2.75536 0.0 0
M V30 18 C 3.06737 -2.34236 0.0 0
M V30 19 C 3.06737 -1.51836 0.0 0
M V30 20 C 2.35392 -1.10536 0.0 0
M V30 21 C -2.35291 -0.243179 0.0 0
M V30 22 N -1.63845 0.168819 0.0 0
M V30 23 C -1.63845 0.992815 0.0 0
M V30 24 C -2.35291 1.40582 0.0 0
M V30 25 C -3.06737 0.992815 0.0 0
M V30 26 C -3.06737 0.168819 0.0 0
M V30 27 C -0.774255 1.51836 0.0 0
M V30 28 N -0.05979 1.10636 0.0 0
M V30 29 C 0.65367 1.51836 0.0 0
M V30 30 C 0.65367 2.34336 0.0 0
M V30 31 C -0.05979 2.75536 0.0 0
M V30 32 C -0.774255 2.34336 0.0 0
M V30 33 C 1.63141 0.955634 0.0 0
M V30 34 N 1.63141 0.130634 0.0 0
M V30 35 C 2.34588 -0.281365 0.0 0
M V30 36 C 3.06034 0.130634 0.0 0
M V30 37 C 3.06034 0.955634 0.0 0
M V30 38 C 2.34588 1.36763 0.0 0
M V30 39 Co 0.155253 -0.138673 0.0 0 CHG=2
M V30 40 O 0.7 0.775 0.0 0
M V30 41 Cl 6.675 0.3 0.0 0
M V30 42 O 6.675 1.3 0.0 0 CHG=-1
M V30 43 O 5.80897 -0.2 0.0 0
M V30 44 O 6.675 -0.7 0.0 0
M V30 45 O 7.54103 -0.2 0.0 0
M V30 46 Cl 6.525 -2.85 0.0 0
M V30 47 O 6.525 -1.85 0.0 0 CHG=-1
M V30 48 O 5.65897 -3.35 0.0 0
M V30 49 O 6.525 -3.85 0.0 0
M V30 50 O 7.39103 -3.35 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 2 3 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 6 1
M V30 7 1 4 7
M V30 8 2 7 8
M V30 9 1 8 9
M V30 10 2 9 10
M V30 11 1 10 5
M V30 12 2 11 12
M V30 13 1 12 13
M V30 14 2 13 14
M V30 15 1 14 15
M V30 16 2 15 16
M V30 17 1 16 11
M V30 18 1 14 17
M V30 19 2 17 18
M V30 20 1 18 19
M V30 21 2 19 20
M V30 22 1 20 15
M V30 23 1 6 21
M V30 24 2 21 22
M V30 25 1 22 23
M V30 26 2 23 24
M V30 27 1 24 25
M V30 28 2 25 26
M V30 29 1 26 21
M V30 30 1 23 27
M V30 31 2 27 28
M V30 32 1 28 29
M V30 33 2 29 30
M V30 34 1 30 31
M V30 35 2 31 32
M V30 36 1 32 27
M V30 37 1 29 33
M V30 38 2 33 34
M V30 39 1 34 35
M V30 40 2 35 36
M V30 41 1 36 37
M V30 42 2 37 38
M V30 43 1 38 33
M V30 44 1 20 35
M V30 45 10 10 39
M V30 46 10 22 39
M V30 47 10 28 39
M V30 48 10 34 39
M V30 49 10 16 39
M V30 50 8 39 40
M V30 51 1 41 42
M V30 52 2 41 43
M V30 53 2 41 44
M V30 54 2 41 45
M V30 55 1 46 47
M V30 56 2 46 48
M V30 57 2 46 49
M V30 58 2 46 50
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 GEN 1 ATOMS=(39 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 2-
M V30 1 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39) BRKXYZ=(9 0.0-
M V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0-
M V30 .000000) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000)
M V30 END SGROUP
M V30 END CTAB
M END
-INDIGO-02112509522D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 50 58 1 0 0
M V30 BEGIN ATOM
M V30 1 C -3.06737 -1.48018 0.0 0
M V30 2 C -3.06737 -2.30518 0.0 0
M V30 3 C -2.35291 -2.71718 0.0 0
M V30 4 C -1.63845 -2.30518 0.0 0
M V30 5 C -1.63845 -1.48018 0.0 0
M V30 6 C -2.35291 -1.06818 0.0 0
M V30 7 C -0.924986 -2.71718 0.0 0
M V30 8 C -0.210521 -2.30518 0.0 0
M V30 9 C -0.210521 -1.48018 0.0 0
M V30 10 N -0.924986 -1.06818 0.0 0
M V30 11 C 0.211525 -1.51836 0.0 0
M V30 12 C 0.211525 -2.34236 0.0 0
M V30 13 C 0.924986 -2.75536 0.0 0
M V30 14 C 1.63945 -2.34236 0.0 0
M V30 15 C 1.63945 -1.51836 0.0 0
M V30 16 N 0.924986 -1.10536 0.0 0
M V30 17 C 2.35392 -2.75536 0.0 0
M V30 18 C 3.06737 -2.34236 0.0 0
M V30 19 C 3.06737 -1.51836 0.0 0
M V30 20 C 2.35392 -1.10536 0.0 0
M V30 21 C -2.35291 -0.243179 0.0 0
M V30 22 N -1.63845 0.168819 0.0 0
M V30 23 C -1.63845 0.992815 0.0 0
M V30 24 C -2.35291 1.40582 0.0 0
M V30 25 C -3.06737 0.992815 0.0 0
M V30 26 C -3.06737 0.168819 0.0 0
M V30 27 C -0.774255 1.51836 0.0 0
M V30 28 N -0.05979 1.10636 0.0 0
M V30 29 C 0.65367 1.51836 0.0 0
M V30 30 C 0.65367 2.34336 0.0 0
M V30 31 C -0.05979 2.75536 0.0 0
M V30 32 C -0.774255 2.34336 0.0 0
M V30 33 C 1.63141 0.955634 0.0 0
M V30 34 N 1.63141 0.130634 0.0 0
M V30 35 C 2.34588 -0.281365 0.0 0
M V30 36 C 3.06034 0.130634 0.0 0
M V30 37 C 3.06034 0.955634 0.0 0
M V30 38 C 2.34588 1.36763 0.0 0
M V30 39 Fe 0.155253 -0.138673 0.0 0 CHG=2
M V30 40 O 0.689846 0.914435 0.0 0
M V30 41 Cl 5.725 -1.35 0.0 0
M V30 42 O 5.725 -0.35 0.0 0 CHG=-1
M V30 43 O 4.85897 -1.85 0.0 0
M V30 44 O 5.98382 -2.31593 0.0 0
M V30 45 O 6.69093 -1.60882 0.0 0
M V30 46 Cl 5.40005 2.10796 0.0 0
M V30 47 O 5.40005 3.10796 0.0 0 CHG=-1
M V30 48 O 4.53402 1.60796 0.0 0
M V30 49 O 5.65887 1.14204 0.0 0
M V30 50 O 6.36598 1.84914 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 2 3 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 6 1
M V30 7 1 4 7
M V30 8 2 7 8
M V30 9 1 8 9
M V30 10 2 9 10
M V30 11 1 10 5
M V30 12 2 11 12
M V30 13 1 12 13
M V30 14 2 13 14
M V30 15 1 14 15
M V30 16 2 15 16
M V30 17 1 16 11
M V30 18 1 14 17
M V30 19 2 17 18
M V30 20 1 18 19
M V30 21 2 19 20
M V30 22 1 20 15
M V30 23 1 6 21
M V30 24 2 21 22
M V30 25 1 22 23
M V30 26 2 23 24
M V30 27 1 24 25
M V30 28 2 25 26
M V30 29 1 26 21
M V30 30 1 23 27
M V30 31 2 27 28
M V30 32 1 28 29
M V30 33 2 29 30
M V30 34 1 30 31
M V30 35 2 31 32
M V30 36 1 32 27
M V30 37 1 29 33
M V30 38 2 33 34
M V30 39 1 34 35
M V30 40 2 35 36
M V30 41 1 36 37
M V30 42 2 37 38
M V30 43 1 38 33
M V30 44 1 20 35
M V30 45 8 39 40
M V30 46 10 10 39
M V30 47 10 22 39
M V30 48 10 28 39
M V30 49 10 34 39
M V30 50 10 16 39
M V30 51 1 41 42
M V30 52 2 41 43
M V30 53 2 41 44
M V30 54 2 41 45
M V30 55 1 46 47
M V30 56 2 46 48
M V30 57 2 46 49
M V30 58 2 46 50
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 GEN 1 ATOMS=(40 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 2-
M V30 1 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40) BRKXYZ=(9 -
M V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
M V30 0 0.000000) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
M V30 00000 0.000000 0.000000 0.000000)
M V30 END SGROUP
M V30 END CTAB
M END
-INDIGO-02112509532D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 50 58 1 0 0
M V30 BEGIN ATOM
M V30 1 C -3.06737 -1.48018 0.0 0
M V30 2 C -3.06737 -2.30518 0.0 0
M V30 3 C -2.35291 -2.71718 0.0 0
M V30 4 C -1.63845 -2.30518 0.0 0
M V30 5 C -1.63845 -1.48018 0.0 0
M V30 6 C -2.35291 -1.06818 0.0 0
M V30 7 C -0.924986 -2.71718 0.0 0
M V30 8 C -0.210521 -2.30518 0.0 0
M V30 9 C -0.210521 -1.48018 0.0 0
M V30 10 N -0.924986 -1.06818 0.0 0
M V30 11 C 0.211525 -1.51836 0.0 0
M V30 12 C 0.211525 -2.34236 0.0 0
M V30 13 C 0.924986 -2.75536 0.0 0
M V30 14 C 1.63945 -2.34236 0.0 0
M V30 15 C 1.63945 -1.51836 0.0 0
M V30 16 N 0.924986 -1.10536 0.0 0
M V30 17 C 2.35392 -2.75536 0.0 0
M V30 18 C 3.06737 -2.34236 0.0 0
M V30 19 C 3.06737 -1.51836 0.0 0
M V30 20 C 2.35392 -1.10536 0.0 0
M V30 21 C -2.35291 -0.243179 0.0 0
M V30 22 N -1.63845 0.168819 0.0 0
M V30 23 C -1.63845 0.992815 0.0 0
M V30 24 C -2.35291 1.40582 0.0 0
M V30 25 C -3.06737 0.992815 0.0 0
M V30 26 C -3.06737 0.168819 0.0 0
M V30 27 C -0.774255 1.51836 0.0 0
M V30 28 N -0.05979 1.10636 0.0 0
M V30 29 C 0.65367 1.51836 0.0 0
M V30 30 C 0.65367 2.34336 0.0 0
M V30 31 C -0.05979 2.75536 0.0 0
M V30 32 C -0.774255 2.34336 0.0 0
M V30 33 C 1.63141 0.955634 0.0 0
M V30 34 N 1.63141 0.130634 0.0 0
M V30 35 C 2.34588 -0.281365 0.0 0
M V30 36 C 3.06034 0.130634 0.0 0
M V30 37 C 3.06034 0.955634 0.0 0
M V30 38 C 2.34588 1.36763 0.0 0
M V30 39 Ni 0.155253 -0.138673 0.0 0
M V30 40 O 0.689846 0.914435 0.0 0
M V30 41 Cl 6.05 1.75 0.0 0
M V30 42 O 6.05 2.75 0.0 0 CHG=-1
M V30 43 O 5.18397 1.25 0.0 0
M V30 44 O 6.05 0.75 0.0 0
M V30 45 O 6.91603 1.25 0.0 0
M V30 46 Cl 5.925 -1.6 0.0 0
M V30 47 O 5.925 -0.6 0.0 0 CHG=-1
M V30 48 O 5.05897 -2.1 0.0 0
M V30 49 O 5.925 -2.6 0.0 0
M V30 50 O 6.79103 -2.1 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 2 3 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 6 1
M V30 7 1 4 7
M V30 8 2 7 8
M V30 9 1 8 9
M V30 10 2 9 10
M V30 11 1 10 5
M V30 12 2 11 12
M V30 13 1 12 13
M V30 14 2 13 14
M V30 15 1 14 15
M V30 16 2 15 16
M V30 17 1 16 11
M V30 18 1 14 17
M V30 19 2 17 18
M V30 20 1 18 19
M V30 21 2 19 20
M V30 22 1 20 15
M V30 23 1 6 21
M V30 24 2 21 22
M V30 25 1 22 23
M V30 26 2 23 24
M V30 27 1 24 25
M V30 28 2 25 26
M V30 29 1 26 21
M V30 30 1 23 27
M V30 31 2 27 28
M V30 32 1 28 29
M V30 33 2 29 30
M V30 34 1 30 31
M V30 35 2 31 32
M V30 36 1 32 27
M V30 37 1 29 33
M V30 38 2 33 34
M V30 39 1 34 35
M V30 40 2 35 36
M V30 41 1 36 37
M V30 42 2 37 38
M V30 43 1 38 33
M V30 44 1 20 35
M V30 45 8 39 40
M V30 46 10 10 39
M V30 47 10 22 39
M V30 48 10 28 39
M V30 49 10 34 39
M V30 50 10 16 39
M V30 51 1 41 42
M V30 52 2 41 43
M V30 53 2 41 44
M V30 54 2 41 45
M V30 55 1 46 47
M V30 56 2 46 48
M V30 57 2 46 49
M V30 58 2 46 50
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 GEN 1 ATOMS=(40 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 2-
M V30 1 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40) BRKXYZ=(9 -
M V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
M V30 0 0.000000) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
M V30 00000 0.000000 0.000000 0.000000)
M V30 END SGROUP
M V30 END CTAB
M END
-INDIGO-04092516412D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 45 56 0 0 0
M V30 BEGIN ATOM
M V30 1 C -0.7145 1.0312 0.0 0
M V30 2 C -0.7145 0.2062 0.0 0
M V30 3 C 0.0 -0.2063 0.0 0
M V30 4 C 0.7145 0.2062 0.0 0
M V30 5 C 0.7145 1.0312 0.0 0
M V30 6 C 0.0 1.4437 0.0 0
M V30 7 S 0.0 -1.0313 0.0 0 CHG=1
M V30 8 Cu -0.7969 -1.2448 0.0 0
M V30 9 Cu 0.7969 -1.2448 0.0 0
M V30 10 C 1.4289 -0.2063 0.0 0
M V30 11 C -1.4289 -0.2063 0.0 0
M V30 12 N 2.1434 0.2062 0.0 0
M V30 13 N -2.1434 0.2062 0.0 0
M V30 14 C -2.1434 1.0312 0.0 0
M V30 15 C -2.8579 -0.2063 0.0 0
M V30 16 C -2.8579 1.4437 0.0 0
M V30 17 C -2.8579 2.2687 0.0 0
M V30 18 C -3.5724 2.6812 0.0 0
M V30 19 C -4.2868 2.2687 0.0 0
M V30 20 C -4.2868 1.4437 0.0 0
M V30 21 N -3.5724 1.0313 0.0 0
M V30 22 C 2.1434 1.0312 0.0 0
M V30 23 C 2.8579 -0.2063 0.0 0
M V30 24 C 2.8579 1.4437 0.0 0
M V30 25 N 3.5724 1.0312 0.0 0
M V30 26 C 4.2868 1.4437 0.0 0
M V30 27 C 4.2868 2.2687 0.0 0
M V30 28 C 3.5724 2.6813 0.0 0
M V30 29 C 2.8579 2.2687 0.0 0
M V30 30 C 0.0 2.2687 0.0 0
M V30 31 C -2.8579 -1.0313 0.0 0
M V30 32 C 2.8579 -1.0313 0.0 0
M V30 33 C -3.5724 -1.4438 0.0 0
M V30 34 C -3.5724 -2.2688 0.0 0
M V30 35 C -2.8579 -2.6813 0.0 0
M V30 36 C -2.1434 -2.2688 0.0 0
M V30 37 N -2.1434 -1.4438 0.0 0
M V30 38 N 2.1434 -1.4438 0.0 0
M V30 39 C 2.1434 -2.2688 0.0 0
M V30 40 C 2.8579 -2.6813 0.0 0
M V30 41 C 3.5724 -2.2688 0.0 0
M V30 42 C 3.5724 -1.4438 0.0 0
M V30 43 O 0.0578 -1.7852 0.0 0 CHG=1
M V30 44 C -0.5256 -2.3685 0.0 0
M V30 45 C 0.6412 -2.3685 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 2 3 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 6 1
M V30 7 1 3 7
M V30 8 1 7 8
M V30 9 1 7 9
M V30 10 1 4 10
M V30 11 1 2 11
M V30 12 1 10 12
M V30 13 1 11 13
M V30 14 1 13 14
M V30 15 1 13 15
M V30 16 1 14 16
M V30 17 2 16 17
M V30 18 1 17 18
M V30 19 2 18 19
M V30 20 1 19 20
M V30 21 2 20 21
M V30 22 1 21 16
M V30 23 1 12 22
M V30 24 1 12 23
M V30 25 1 22 24
M V30 26 2 24 25
M V30 27 1 25 26
M V30 28 2 26 27
M V30 29 1 27 28
M V30 30 2 28 29
M V30 31 1 29 24
M V30 32 1 6 30
M V30 33 1 15 31
M V30 34 1 23 32
M V30 35 2 31 33
M V30 36 1 33 34
M V30 37 2 34 35
M V30 38 1 35 36
M V30 39 2 36 37
M V30 40 1 37 31
M V30 41 2 32 38
M V30 42 1 38 39
M V30 43 2 39 40
M V30 44 1 40 41
M V30 45 2 41 42
M V30 46 1 42 32
M V30 47 10 8 37
M V30 48 10 8 13
M V30 49 10 8 21
M V30 50 10 9 12
M V30 51 10 9 38
M V30 52 10 9 25
M V30 53 1 8 43
M V30 54 1 9 43
M V30 55 1 43 44
M V30 56 1 43 45
M V30 END BOND
M V30 END CTAB
M END
Ketcher 09212317352D 1 1.00000 0.00000 0
44 48 0 0 0 999 V2000
-0.7685 3.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7685 2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0214 1.6558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8112 2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8112 3.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0214 3.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5584 3.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3481 3.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3481 2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5584 1.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5584 0.7438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5788 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5788 -0.7012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3687 0.6669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1586 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3687 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7891 -1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3687 -1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4715 -3.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4428 -2.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3610 -1.8362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1362 -2.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1074 -3.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3037 -3.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2753 -3.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0504 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0217 -2.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2179 -1.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3174 -0.7724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1695 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1408 0.6454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9732 -0.6971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7484 -0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0020 -1.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9160 1.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1307 0.0245 0.0000 Cu 0 0 0 0 0 0 0 0 0 0 0 0
3.9480 3.6532 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.9734 3.6532 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.4353 4.5412 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.4353 2.7651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4607 4.5412 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4607 2.7651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.9225 3.6532 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0
2 3 1 0 0 0
3 4 2 0 0 0
4 5 1 0 0 0
5 6 2 0 0 0
6 1 1 0 0 0
1 7 1 0 0 0
7 8 2 0 0 0
8 9 1 0 0 0
9 10 2 0 0 0
10 2 1 0 0 0
10 11 1 0 0 0
11 12 2 0 0 0
12 13 1 0 0 0
12 14 1 0 0 0
14 15 1 0 0 0
14 16 1 0 0 0
13 17 1 0 0 0
13 18 1 0 0 0
19 20 2 0 0 0
20 21 1 0 0 0
21 22 2 0 0 0
22 23 1 0 0 0
23 24 2 0 0 0
24 19 1 0 0 0
19 25 1 0 0 0
25 26 2 0 0 0
26 27 1 0 0 0
27 28 2 0 0 0
28 20 1 0 0 0
28 29 1 0 0 0
29 30 2 0 0 0
30 31 1 0 0 0
30 32 1 0 0 0
32 33 1 0 0 0
32 34 1 0 0 0
31 35 1 0 0 0
31 36 1 0 0 0
21 37 9 0 0 0
3 37 9 0 0 0
11 37 9 0 0 0
29 37 9 0 0 0
38 39 1 0 0 0
38 40 1 0 0 0
38 41 1 0 0 0
38 42 1 0 0 0
38 43 1 0 0 0
38 44 1 0 0 0
M CHG 2 37 1 38 -1
M END
$$$$
M
-INDIGO-02262410222D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 180 201 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.35983 -3.83559 0.0 0
M V30 2 C 7.69328 -4.60497 0.0 0
M V30 3 C 7.25019 -3.83585 0.0 0
M V30 4 C 7.248 -5.37622 0.0 0
M V30 5 C 5.91276 -4.60993 0.0 0
M V30 6 C 6.36212 -5.37792 0.0 0
M V30 7 C 9.11694 -9.62574 0.0 0
M V30 8 C 9.11651 -8.08625 0.0 0
M V30 9 C 8.67199 -8.85454 0.0 0
M V30 10 C 10.0071 -8.08625 0.0 0
M V30 11 C 10.0111 -9.62574 0.0 0
M V30 12 C 10.4515 -8.8526 0.0 0
M V30 13 C 11.7872 -3.79111 0.0 0
M V30 14 C 13.1206 -4.56048 0.0 0
M V30 15 C 12.6775 -3.79137 0.0 0
M V30 16 C 12.6753 -5.33173 0.0 0
M V30 17 C 11.3401 -4.56545 0.0 0
M V30 18 C 11.7894 -5.33344 0.0 0
M V30 19 P 7.69505 -3.06532 0.0 0
M V30 20 P 11.3423 -3.02058 0.0 0
M V30 21 P 5.91725 -6.14844 0.0 0
M V30 22 P 7.78226 -8.85454 0.0 0
M V30 23 P 11.3412 -8.8526 0.0 0
M V30 24 P 13.1202 -6.10226 0.0 0
M V30 25 Re 12.2309 -7.49758 0.0 0 CHG=1
M V30 26 Re 6.91477 -7.54207 0.0 0 CHG=1
M V30 27 Re 9.49497 -3.04895 0.0 0 CHG=1
M V30 28 C 11.3412 -7.49758 0.0 0 CHG=-1
M V30 29 C 11.786 -6.72705 0.0 0 CHG=-1
M V30 30 C 9.05011 -3.81948 0.0 0 CHG=-1
M V30 31 C 9.93984 -3.81948 0.0 0 CHG=-1
M V30 32 C 7.80449 -7.54207 0.0 0 CHG=-1
M V30 33 C 7.35963 -6.77154 0.0 0 CHG=-1
M V30 34 O 7.80449 -6.00102 0.0 0 CHG=1
M V30 35 O 8.69422 -7.54207 0.0 0 CHG=1
M V30 36 O 10.4514 -7.49758 0.0 0 CHG=1
M V30 37 O 11.3412 -5.95653 0.0 0 CHG=1
M V30 38 O 8.60525 -4.59 0.0 0 CHG=1
M V30 39 O 10.3847 -4.59 0.0 0 CHG=1
M V30 40 C 13.7493 -5.47313 0.0 0
M V30 41 C 14.1464 -3.98571 0.0 0
M V30 42 C 13.5186 -4.61319 0.0 0
M V30 43 C 15.0067 -4.21563 0.0 0
M V30 44 C 14.6131 -5.70396 0.0 0
M V30 45 C 15.2382 -5.07073 0.0 0
M V30 46 C 13.8907 -6.54712 0.0 0
M V30 47 C 15.4302 -6.54565 0.0 0
M V30 48 C 14.6616 -6.10165 0.0 0
M V30 49 C 15.4308 -7.43622 0.0 0
M V30 50 C 13.8913 -7.44124 0.0 0
M V30 51 C 14.6647 -7.88115 0.0 0
M V30 52 C 12.2017 -2.7903 0.0 0
M V30 53 C 13.2892 -1.70068 0.0 0
M V30 54 C 12.4318 -1.93019 0.0 0
M V30 55 C 13.9194 -2.32998 0.0 0
M V30 56 C 12.8344 -3.42212 0.0 0
M V30 57 C 13.6923 -3.18628 0.0 0
M V30 58 C 11.3423 -2.13085 0.0 0
M V30 59 C 10.5713 -0.798349 0.0 0
M V30 60 C 10.571 -1.68597 0.0 0
M V30 61 C 11.3422 -0.352549 0.0 0
M V30 62 C 12.1163 -1.68328 0.0 0
M V30 63 C 12.1106 -0.793501 0.0 0
M V30 64 C 6.83565 -2.83505 0.0 0
M V30 65 C 5.34899 -3.23491 0.0 0
M V30 66 C 6.2063 -3.46486 0.0 0
M V30 67 C 5.11792 -2.37484 0.0 0
M V30 68 C 6.60365 -1.97154 0.0 0
M V30 69 C 5.7427 -1.7468 0.0 0
M V30 70 C 7.69505 -2.1756 0.0 0
M V30 71 C 6.92404 -0.843091 0.0 0
M V30 72 C 6.92381 -1.73071 0.0 0
M V30 73 C 7.69499 -0.397292 0.0 0
M V30 74 C 8.46908 -1.72801 0.0 0
M V30 75 C 8.46334 -0.838244 0.0 0
M V30 76 C 11.111 -9.71202 0.0 0
M V30 77 C 11.5108 -11.1987 0.0 0
M V30 78 C 11.7407 -10.3413 0.0 0
M V30 79 C 10.6507 -11.4297 0.0 0
M V30 80 C 10.2474 -9.94397 0.0 0
M V30 81 C 10.0227 -10.805 0.0 0
M V30 82 C 12.1117 -9.29746 0.0 0
M V30 83 C 13.6512 -9.29599 0.0 0
M V30 84 C 12.8827 -8.85198 0.0 0
M V30 85 C 13.6519 -10.1866 0.0 0
M V30 86 C 12.1124 -10.1916 0.0 0
M V30 87 C 12.8858 -10.6315 0.0 0
M V30 88 C 8.01254 -9.71397 0.0 0
M V30 89 C 9.10216 -10.8015 0.0 0
M V30 90 C 8.87265 -9.94406 0.0 0
M V30 91 C 8.47286 -11.4317 0.0 0
M V30 92 C 7.38072 -10.3466 0.0 0
M V30 93 C 7.61656 -11.2046 0.0 0
M V30 94 C 7.01173 -9.2994 0.0 0
M V30 95 C 6.24326 -10.6333 0.0 0
M V30 96 C 7.01207 -10.1898 0.0 0
M V30 97 C 5.47171 -10.1886 0.0 0
M V30 98 C 6.2371 -8.85285 0.0 0
M V30 99 C 5.46941 -9.30273 0.0 0
M V30 100 C 5.28812 -5.51931 0.0 0
M V30 101 C 3.8007 -5.12228 0.0 0
M V30 102 C 4.42819 -5.75009 0.0 0
M V30 103 C 4.03063 -4.26191 0.0 0
M V30 104 C 5.51896 -4.6555 0.0 0
M V30 105 C 4.88573 -4.0304 0.0 0
M V30 106 C 5.14672 -6.59331 0.0 0
M V30 107 C 4.37825 -7.92728 0.0 0
M V30 108 C 5.14707 -7.48367 0.0 0
M V30 109 C 3.6067 -7.48252 0.0 0
M V30 110 C 4.37209 -6.14676 0.0 0
M V30 111 C 3.6044 -6.59663 0.0 0
M V30 112 C 15.9538 -7.84068 0.0 0
M V30 113 C 17.2873 -8.61006 0.0 0
M V30 114 C 16.8442 -7.84094 0.0 0
M V30 115 C 16.842 -9.38131 0.0 0
M V30 116 N 15.5068 -8.61502 0.0 0
M V30 117 C 15.9561 -9.38302 0.0 0
M V30 118 C 15.5112 -10.1535 0.0 0
M V30 119 C 15.5127 -11.693 0.0 0
M V30 120 C 15.9567 -10.9244 0.0 0
M V30 121 C 14.6221 -11.6936 0.0 0
M V30 122 N 14.6171 -10.1541 0.0 0
M V30 123 C 14.1772 -10.9276 0.0 0
M V30 124 R# 15.9576 -12.4636 0.0 0 RGROUPS=(1 1)
M V30 125 R# 18.177 -8.61006 0.0 0 RGROUPS=(1 1)
M V30 126 C 7.63909 0.0146492 0.0 0
M V30 127 C 7.63865 1.55414 0.0 0
M V30 128 C 7.19412 0.785853 0.0 0
M V30 129 C 8.52921 1.55414 0.0 0
M V30 130 N 8.53321 0.0146492 0.0 0
M V30 131 C 8.97363 0.787792 0.0 0
M V30 132 C 9.86335 0.787792 0.0 0
M V30 133 C 11.1959 1.55881 0.0 0
M V30 134 C 10.3082 1.55904 0.0 0
M V30 135 C 11.6417 0.787854 0.0 0
M V30 136 N 10.3109 0.0137595 0.0 0
M V30 137 C 11.2008 0.0195098 0.0 0
M V30 138 R# 11.6407 2.32933 0.0 0 RGROUPS=(1 1)
M V30 139 R# 7.19379 2.32467 0.0 0 RGROUPS=(1 1)
M V30 140 C 4.8284 -10.9379 0.0 0
M V30 141 C 3.49538 -11.708 0.0 0
M V30 142 C 4.38299 -11.7088 0.0 0
M V30 143 C 3.05009 -10.9367 0.0 0
M V30 144 N 4.38134 -10.1636 0.0 0
M V30 145 C 3.49156 -10.1687 0.0 0
M V30 146 C 3.0467 -9.39818 0.0 0
M V30 147 C 1.71272 -8.6297 0.0 0
M V30 148 C 2.15633 -9.39851 0.0 0
M V30 149 C 2.15749 -7.85815 0.0 0
M V30 150 N 3.49324 -8.62354 0.0 0
M V30 151 C 3.04337 -7.85585 0.0 0
M V30 152 R# 0.822997 -8.6297 0.0 0 RGROUPS=(1 1)
M V30 153 R# 3.05051 -12.4785 0.0 0 RGROUPS=(1 1)
M V30 154 R# 4.82786 -12.4793 0.0 0 RGROUPS=(1 2)
M V30 155 R# 1.71137 -7.08835 0.0 0 RGROUPS=(1 2)
M V30 156 R# 14.1785 -12.4648 0.0 0 RGROUPS=(1 2)
M V30 157 R# 17.2895 -7.07069 0.0 0 RGROUPS=(1 2)
M V30 158 R# 6.3044 0.786395 0.0 0 RGROUPS=(1 2)
M V30 159 R# 12.5314 0.789322 0.0 0 RGROUPS=(1 2)
M V30 160 P 16.625 -2.225 0.0 0 CHG=-1
M V30 161 F 16.125 -1.35897 0.0 0
M V30 162 F 16.125 -3.09103 0.0 0
M V30 163 F 17.625 -2.225 0.0 0
M V30 164 F 17.125 -1.35897 0.0 0
M V30 165 F 17.125 -3.09103 0.0 0
M V30 166 F 15.625 -2.225 0.0 0
M V30 167 P 2.775 -2.375 0.0 0 CHG=-1
M V30 168 F 2.275 -1.50897 0.0 0
M V30 169 F 2.275 -3.24103 0.0 0
M V30 170 F 3.775 -2.375 0.0 0
M V30 171 F 3.275 -1.50897 0.0 0
M V30 172 F 3.275 -3.24103 0.0 0
M V30 173 F 1.775 -2.375 0.0 0
M V30 174 P 9.55 -13.35 0.0 0 CHG=-1
M V30 175 F 9.05 -12.484 0.0 0
M V30 176 F 9.05 -14.216 0.0 0
M V30 177 F 10.55 -13.35 0.0 0
M V30 178 F 10.05 -12.484 0.0 0
M V30 179 F 10.05 -14.216 0.0 0
M V30 180 F 8.55 -13.35 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 1 3 19
M V30 20 1 13 20
M V30 21 1 6 21
M V30 22 1 9 22
M V30 23 1 12 23
M V30 24 1 16 24
M V30 25 8 19 27
M V30 26 8 20 27
M V30 27 8 21 26
M V30 28 8 22 26
M V30 29 8 23 25
M V30 30 8 24 25
M V30 31 10 25 28
M V30 32 10 25 29
M V30 33 10 27 30
M V30 34 10 27 31
M V30 35 10 26 32
M V30 36 10 26 33
M V30 37 3 33 34
M V30 38 3 32 35
M V30 39 3 28 36
M V30 40 3 29 37
M V30 41 3 30 38
M V30 42 3 31 39
M V30 43 1 24 40
M V30 44 2 42 40
M V30 45 2 43 41
M V30 46 1 40 44
M V30 47 1 41 42
M V30 48 2 44 45
M V30 49 1 45 43
M V30 50 1 24 46
M V30 51 2 48 46
M V30 52 2 49 47
M V30 53 1 46 50
M V30 54 1 47 48
M V30 55 2 50 51
M V30 56 1 51 49
M V30 57 1 20 52
M V30 58 2 54 52
M V30 59 2 55 53
M V30 60 1 52 56
M V30 61 1 53 54
M V30 62 2 56 57
M V30 63 1 57 55
M V30 64 1 20 58
M V30 65 2 60 58
M V30 66 2 61 59
M V30 67 1 58 62
M V30 68 1 59 60
M V30 69 2 62 63
M V30 70 1 63 61
M V30 71 1 19 64
M V30 72 2 66 64
M V30 73 2 67 65
M V30 74 1 64 68
M V30 75 1 65 66
M V30 76 2 68 69
M V30 77 1 69 67
M V30 78 1 19 70
M V30 79 2 72 70
M V30 80 2 73 71
M V30 81 1 70 74
M V30 82 1 71 72
M V30 83 2 74 75
M V30 84 1 75 73
M V30 85 1 23 76
M V30 86 2 78 76
M V30 87 2 79 77
M V30 88 1 76 80
M V30 89 1 77 78
M V30 90 2 80 81
M V30 91 1 81 79
M V30 92 1 23 82
M V30 93 2 84 82
M V30 94 2 85 83
M V30 95 1 82 86
M V30 96 1 83 84
M V30 97 2 86 87
M V30 98 1 87 85
M V30 99 1 22 88
M V30 100 2 90 88
M V30 101 2 91 89
M V30 102 1 88 92
M V30 103 1 89 90
M V30 104 2 92 93
M V30 105 1 93 91
M V30 106 1 22 94
M V30 107 2 96 94
M V30 108 2 97 95
M V30 109 1 94 98
M V30 110 1 95 96
M V30 111 2 98 99
M V30 112 1 99 97
M V30 113 1 21 100
M V30 114 2 102 100
M V30 115 2 103 101
M V30 116 1 100 104
M V30 117 1 101 102
M V30 118 2 104 105
M V30 119 1 105 103
M V30 120 1 21 106
M V30 121 2 108 106
M V30 122 2 109 107
M V30 123 1 106 110
M V30 124 1 107 108
M V30 125 2 110 111
M V30 126 1 111 109
M V30 127 2 114 112
M V30 128 2 115 113
M V30 129 1 112 116
M V30 130 1 113 114
M V30 131 2 116 117
M V30 132 1 117 115
M V30 133 1 117 118
M V30 134 2 120 118
M V30 135 2 121 119
M V30 136 1 118 122
M V30 137 1 119 120
M V30 138 2 122 123
M V30 139 1 123 121
M V30 140 1 119 124
M V30 141 1 113 125
M V30 142 2 128 126
M V30 143 2 129 127
M V30 144 1 126 130
M V30 145 1 127 128
M V30 146 2 130 131
M V30 147 1 131 129
M V30 148 1 131 132
M V30 149 2 134 132
M V30 150 2 135 133
M V30 151 1 132 136
M V30 152 1 133 134
M V30 153 2 136 137
M V30 154 1 137 135
M V30 155 1 133 138
M V30 156 1 127 139
M V30 157 2 142 140
M V30 158 2 143 141
M V30 159 1 140 144
M V30 160 1 141 142
M V30 161 2 144 145
M V30 162 1 145 143
M V30 163 1 145 146
M V30 164 2 148 146
M V30 165 2 149 147
M V30 166 1 146 150
M V30 167 1 147 148
M V30 168 2 150 151
M V30 169 1 151 149
M V30 170 1 147 152
M V30 171 1 141 153
M V30 172 10 26 150
M V30 173 10 26 144
M V30 174 10 25 122
M V30 175 10 25 116
M V30 176 10 27 130
M V30 177 10 27 136
M V30 178 1 142 154
M V30 179 1 149 155
M V30 180 1 121 156
M V30 181 1 114 157
M V30 182 1 128 158
M V30 183 1 135 159
M V30 184 1 160 161
M V30 185 1 160 162
M V30 186 1 160 163
M V30 187 1 160 164
M V30 188 1 160 165
M V30 189 1 160 166
M V30 190 1 167 168
M V30 191 1 167 169
M V30 192 1 167 170
M V30 193 1 167 171
M V30 194 1 167 172
M V30 195 1 167 173
M V30 196 1 174 175
M V30 197 1 174 176
M V30 198 1 174 177
M V30 199 1 174 178
M V30 200 1 174 179
M V30 201 1 174 180
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-05052316132D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 24 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.75985 -3.47507 0.0 0
M V30 2 C 6.49015 -3.47459 0.0 0
M V30 3 C 5.62664 -2.97497 0.0 0
M V30 4 N 6.49015 -4.47553 0.0 0
M V30 5 C 4.75985 -4.48002 0.0 0
M V30 6 C 5.62882 -4.97503 0.0 0
M V30 7 C 4.75985 -6.42507 0.0 0
M V30 8 N 6.49015 -6.42459 0.0 0
M V30 9 C 5.62664 -5.92497 0.0 0
M V30 10 C 6.49015 -7.42553 0.0 0
M V30 11 C 4.75985 -7.43002 0.0 0
M V30 12 C 5.62882 -7.92503 0.0 0
M V30 13 Mn 7.55 -5.475 0.0 0 CHG=1
M V30 14 C 8.41603 -4.975 0.0 0 CHG=-1
M V30 15 C 8.41603 -5.975 0.0 0 CHG=-1
M V30 16 C 7.55 -6.475 0.0 0 CHG=-1
M V30 17 O 7.55 -7.475 0.0 0 CHG=1
M V30 18 O 9.28205 -6.475 0.0 0 CHG=1
M V30 19 O 9.28205 -4.475 0.0 0 CHG=1
M V30 20 R# 3.89382 -2.97507 0.0 0 RGROUPS=(1 1)
M V30 21 R# 3.89382 -7.93002 0.0 0 RGROUPS=(1 1)
M V30 22 Br 7.525 -3.3 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 1 6 9
M V30 14 10 4 13
M V30 15 10 8 13
M V30 16 10 13 14
M V30 17 10 13 15
M V30 18 10 13 16
M V30 19 3 16 17
M V30 20 3 15 18
M V30 21 3 14 19
M V30 22 1 1 20
M V30 23 1 11 21
M V30 24 10 13 22
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01112413302D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 42 47 0 0 0
M V30 BEGIN ATOM
M V30 1 Cl 10.925 -1.975 0.0 0 CHG=-1
M V30 2 C 7.95985 -2.27507 0.0 0
M V30 3 C 9.69015 -2.27459 0.0 0
M V30 4 C 8.82664 -1.77497 0.0 0
M V30 5 C 9.69015 -3.27553 0.0 0
M V30 6 C 7.95985 -3.28002 0.0 0
M V30 7 N 8.82882 -3.77503 0.0 0
M V30 8 N 7.09528 -3.78253 0.0 0
M V30 9 N 10.5567 -3.7747 0.0 0
M V30 10 P 7.09528 -4.78253 0.0 0
M V30 11 P 10.5567 -4.7747 0.0 0
M V30 12 R# 11.4227 -3.2747 0.0 0 RGROUPS=(1 1)
M V30 13 R# 6.22925 -3.28253 0.0 0 RGROUPS=(1 1)
M V30 14 Ru 8.825 -4.85 0.0 0 CHG=1
M V30 15 C 11.5226 -4.51588 0.0 0
M V30 16 C 6.12935 -4.52371 0.0 0
M V30 17 C 12.745 -3.29121 0.0 0
M V30 18 C 11.7813 -3.54917 0.0 0
M V30 19 C 13.4532 -3.99851 0.0 0
M V30 20 C 12.2337 -5.22601 0.0 0
M V30 21 C 13.198 -4.96093 0.0 0
M V30 22 C 4.45844 -4.97313 0.0 0
M V30 23 C 5.42201 -5.23159 0.0 0
M V30 24 C 4.19873 -4.00647 0.0 0
M V30 25 C 5.8686 -3.55318 0.0 0
M V30 26 C 4.90095 -3.30059 0.0 0
M V30 27 C 6.59528 -5.64856 0.0 0
M V30 28 C 6.59693 -7.37886 0.0 0
M V30 29 C 7.09597 -6.51501 0.0 0
M V30 30 C 5.59598 -7.37953 0.0 0
M V30 31 C 5.59033 -5.64923 0.0 0
M V30 32 C 5.0959 -6.51853 0.0 0
M V30 33 C 11.0567 -5.64073 0.0 0
M V30 34 C 12.556 -6.50445 0.0 0
M V30 35 C 12.0574 -5.64034 0.0 0
M V30 36 C 12.0561 -7.37163 0.0 0
M V30 37 C 10.5548 -6.51137 0.0 0
M V30 38 C 11.0604 -7.37421 0.0 0
M V30 39 C 8.225 -5.96603 0.0 0 CHG=-1
M V30 40 C 9.45 -5.96603 0.0 0 CHG=-1
M V30 41 O 7.725 -6.83205 0.0 0 CHG=1
M V30 42 O 9.95 -6.83205 0.0 0 CHG=1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 4 2
M V30 2 2 5 3
M V30 3 1 2 6
M V30 4 1 3 4
M V30 5 2 6 7
M V30 6 1 7 5
M V30 7 1 6 8
M V30 8 1 5 9
M V30 9 1 8 10
M V30 10 1 9 11
M V30 11 1 9 12
M V30 12 1 8 13
M V30 13 10 10 14
M V30 14 10 7 14
M V30 15 10 11 14
M V30 16 1 11 15
M V30 17 1 10 16
M V30 18 2 18 15
M V30 19 2 19 17
M V30 20 1 15 20
M V30 21 1 17 18
M V30 22 2 20 21
M V30 23 1 21 19
M V30 24 2 23 16
M V30 25 2 24 22
M V30 26 1 16 25
M V30 27 1 22 23
M V30 28 2 25 26
M V30 29 1 26 24
M V30 30 1 10 27
M V30 31 2 29 27
M V30 32 2 30 28
M V30 33 1 27 31
M V30 34 1 28 29
M V30 35 2 31 32
M V30 36 1 32 30
M V30 37 1 11 33
M V30 38 2 35 33
M V30 39 2 36 34
M V30 40 1 33 37
M V30 41 1 34 35
M V30 42 2 37 38
M V30 43 1 38 36
M V30 44 10 14 39
M V30 45 10 14 40
M V30 46 3 39 41
M V30 47 3 40 42
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-05102411112D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 19 21 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.13485 -3.75007 0.0 0
M V30 2 C 5.86515 -3.74959 0.0 0
M V30 3 C 5.00164 -3.24997 0.0 0
M V30 4 C 5.86515 -4.75053 0.0 0
M V30 5 C 4.13485 -4.75502 0.0 0
M V30 6 C 5.00382 -5.25003 0.0 0
M V30 7 C 6.73201 -5.25103 0.0 0
M V30 8 C 7.59886 -4.75058 0.0 0
M V30 9 C 7.59886 -3.74963 0.0 0
M V30 10 C 6.73201 -3.24914 0.0 0
M V30 11 O 6.73202 -2.24914 0.0 0
M V30 12 O 6.73201 -6.25103 0.0 0
M V30 13 C 8.46336 -3.25126 0.0 0
M V30 14 C 9.33054 -3.75159 0.0 0
M V30 15 C 8.46951 -5.25291 0.0 0
M V30 16 C 9.33274 -4.7475 0.0 0
M V30 17 N 8.46353 -2.25126 0.0 0
M V30 18 R# 10.1959 -3.25051 0.0 0 RGROUPS=(1 1)
M V30 19 R# 8.4727 -6.25291 0.0 0 RGROUPS=(1 2)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 4 7
M V30 8 1 7 8
M V30 9 2 8 9
M V30 10 1 9 10
M V30 11 1 10 2
M V30 12 2 10 11
M V30 13 2 7 12
M V30 14 2 14 13
M V30 15 1 8 15
M V30 16 1 13 9
M V30 17 2 15 16
M V30 18 1 16 14
M V30 19 1 13 17
M V30 20 1 14 18
M V30 21 1 15 19
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-05142416252D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 51 62 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.63485 -4.15007 0.0 0
M V30 2 C 7.36515 -4.14959 0.0 0
M V30 3 C 6.50164 -3.64997 0.0 0
M V30 4 N 7.36515 -5.15053 0.0 0
M V30 5 C 5.63485 -5.15502 0.0 0
M V30 6 C 6.50382 -5.65003 0.0 0
M V30 7 C 8.23141 -3.64999 0.0 0
M V30 8 C 9.09513 -2.15069 0.0 0
M V30 9 C 8.23103 -2.64928 0.0 0
M V30 10 C 9.96231 -2.65058 0.0 0
M V30 11 N 9.10205 -4.15188 0.0 0
M V30 12 C 9.9649 -3.64626 0.0 0
M V30 13 C 10.8332 -4.14233 0.0 0
M V30 14 C 12.5635 -4.14069 0.0 0
M V30 15 C 11.6996 -3.64164 0.0 0
M V30 16 C 12.5641 -5.14163 0.0 0
M V30 17 N 10.8338 -5.14728 0.0 0
M V30 18 C 11.7032 -5.64171 0.0 0
M V30 19 Fe 9.125 -5.95 0.0 0
M V30 20 C 5.70985 -6.65007 0.0 0
M V30 21 N 7.44015 -6.64959 0.0 0
M V30 22 C 6.57664 -6.14997 0.0 0
M V30 23 C 7.44015 -7.65053 0.0 0
M V30 24 C 5.70985 -7.65502 0.0 0
M V30 25 C 6.57882 -8.15003 0.0 0
M V30 26 C 8.30666 -8.1497 0.0 0
M V30 27 C 10.037 -8.14805 0.0 0
M V30 28 N 9.17311 -7.64901 0.0 0
M V30 29 C 10.0376 -9.149 0.0 0
M V30 30 C 8.30733 -9.15464 0.0 0
M V30 31 C 9.17663 -9.64907 0.0 0
M V30 32 C 10.9029 -7.64788 0.0 0
M V30 33 C 11.7666 -6.14857 0.0 0
M V30 34 N 10.9025 -6.64716 0.0 0
M V30 35 C 12.6338 -6.64846 0.0 0
M V30 36 C 11.7735 -8.14977 0.0 0
M V30 37 C 12.6364 -7.64414 0.0 0
M V30 38 C 9.09493 -1.15069 0.0 0
M V30 39 C 9.18116 -10.6491 0.0 0
M V30 40 C 10.0477 -12.1467 0.0 0
M V30 41 C 10.048 -11.1491 0.0 0
M V30 42 C 9.18123 -12.6478 0.0 0
M V30 43 C 8.31119 -11.1521 0.0 0
M V30 44 C 8.31765 -12.1522 0.0 0
M V30 45 C 8.22835 0.346977 0.0 0
M V30 46 C 8.22809 -0.650659 0.0 0
M V30 47 C 9.09486 0.848029 0.0 0
M V30 48 C 9.9649 -0.647629 0.0 0
M V30 49 C 9.95844 0.352425 0.0 0
M V30 50 R# 9.09323 1.84803 0.0 0 RGROUPS=(1 1)
M V30 51 R# 9.18286 -13.6478 0.0 0 RGROUPS=(1 1)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 1 12 13
M V30 15 2 15 13
M V30 16 2 16 14
M V30 17 1 13 17
M V30 18 1 14 15
M V30 19 2 17 18
M V30 20 1 18 16
M V30 21 2 22 20
M V30 22 2 23 21
M V30 23 1 20 24
M V30 24 1 21 22
M V30 25 2 24 25
M V30 26 1 25 23
M V30 27 1 23 26
M V30 28 2 28 26
M V30 29 2 29 27
M V30 30 1 26 30
M V30 31 1 27 28
M V30 32 2 30 31
M V30 33 1 31 29
M V30 34 1 27 32
M V30 35 2 34 32
M V30 36 2 35 33
M V30 37 1 32 36
M V30 38 1 33 34
M V30 39 2 36 37
M V30 40 1 37 35
M V30 41 1 8 38
M V30 42 1 31 39
M V30 43 2 41 39
M V30 44 2 42 40
M V30 45 1 39 43
M V30 46 1 40 41
M V30 47 2 43 44
M V30 48 1 44 42
M V30 49 2 46 38
M V30 50 2 47 45
M V30 51 1 38 48
M V30 52 1 45 46
M V30 53 2 48 49
M V30 54 1 49 47
M V30 55 1 47 50
M V30 56 1 42 51
M V30 57 8 4 19
M V30 58 8 11 19
M V30 59 8 19 17
M V30 60 8 19 28
M V30 61 8 19 21
M V30 62 8 19 34
M V30 END BOND
M V30 END CTAB
M END
